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| CAS No.: | 74070-46-5 |
|---|---|
| Name: | ACLONIFEN |
| Molecular Structure: | |
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|
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| Formula: | C12H9 Cl N2 O3 |
| Molecular Weight: | 264.668 |
| Synonyms: | 2-Chloro-6-nitro-3-phenoxyaniline;2-Chloro-6-nitro-3-phenoxybenzenamine; Aclonifen; Bandren; Bandur; CME 127; KUB3359 |
| EINECS: | 277-704-1 |
| Density: | 1.422g/cm3 |
| Melting Point: | 81℃ |
| Boiling Point: | 400℃(e) |
| Flash Point: | 172.4oC |
| Solubility: | 2.5mgl-1 |
| Hazard Symbols: |
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| Risk Codes: | 50/53 |
| Safety: | Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
| PSA: | 81.07000 |
| LogP: | 4.72710 |
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Chemistry
Molecular Structure of 2-Chloro-6-nitro-3-phenoxyaniline (CAS NO.74070-46-5):
EINECS: 277-704-1
IUPAC Name: 2-Chloro-6-nitro-3-phenoxyaniline
Molecular Formula: C12H9ClN2O3
Molecular Weight: 264.664460 g/mol
XLogP3-AA: 3.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Canonical SMILES: C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl
InChI: InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
InChIKey: DDBMQDADIHOWIC-UHFFFAOYSA-N
Index of Refraction: 1.656
Molar Refractivity: 68.37 cm3
Molar Volume: 186 cm3
Surface Tension: 58.9 dyne/cm
Density: 1.422 g/cm3
Flash Point: 172.4 °C
Enthalpy of Vaporization: 60.74 kJ/mol
Boiling Point: 361.5 °C at 760 mmHg
Vapour Pressure: 2.06E-05 mmHg at 25 °C
Water Solubility: 6.946 mg/L at 25 °C
Production
1. 2,3,4-Trichloro-nitrobenzene reacts with Ammonia in the autoclave at 50 °C to obtain the 2,3- Dichloro-6-nitroaniline .
2. 2-Chloro-6-nitro-3-phenoxyaniline was obtained by the back reaction of 2,3-Dichloro-6-nitroaniline with Sodium phenolate in the acetate .
Toxicity Data With Reference
| 1. | orl-rat LD50:>6500 mg/kg | FMCHA2 Farm Chemicals Handbook .Meister Publishing,Willoughy, OH.: 1991,C7. | ||
| 2. | skn-rat LD50:>5 g/kg | PEMNDP Pesticide Manual. 9 (1991),7. | ||
| 3. | orl-mus LD50:>5 g/kg | PEMNDP Pesticide Manual. 9 (1991),7. |
Safety Profile
Safety Information of 2-Chloro-6-nitro-3-phenoxyaniline (CAS NO.74070-46-5):
Hazard Codes: N 
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN3077 9/PG 3
RTECS: CX9858650
Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Specification
2-Chloro-6-nitro-3-phenoxyaniline with CAS registry number of 74070-46-5 is also known as Aclonifen ; Aclonifen [BSI:ISO] ; Benzenamine, 2-chloro-6-nitro-3-phenoxy- ; 2-Chloro-6-nitro-3-phenoxybenzenamine ; Bandur ; CME 127 ; Challenge . It is protoporphyrin oxidase inhibitor, diphenyl ether herbicide.